(E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide

C15H17NO3 — CID 871734

IUPAC(E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)NC1CCCC1
InChIInChI=1S/C15H17NO3/c17-15(16-12-3-1-2-4-12)8-6-11-5-7-13-14(9-11)19-10-18-13/h5-9,12H,1-4,10H2,(H,16,17)/b8-6+
InChIKeySLFOTQIGIXJPPD-SOFGYWHQSA-N
MW259.31 g/mol
LogP2.49
Rot. Bonds3

About (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide

(E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide (PubChem CID 871734) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide
PubChem CID871734
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)OCO2)NC1CCCC1
InChIInChI=1S/C15H17NO3/c17-15(16-12-3-1-2-4-12)8-6-11-5-7-13-14(9-11)19-10-18-13/h5-9,12H,1-4,10H2,(H,16,17)/b8-6+
InChIKeySLFOTQIGIXJPPD-SOFGYWHQSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide (CID 871734) is (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide is O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCCC1.
What is the InChIKey of (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide?
The InChIKey is SLFOTQIGIXJPPD-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15(16-12-3-1-2-4-12)8-6-11-5-7-13-14(9-11)19-10-18-13/h5-9,12H,1-4,10H2,(H,16,17)/b8-6+.
What are the key properties of (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide?
(E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide has a molecular weight of 259.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide is sourced from PubChem (CID 871734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).